Ionic Charges and Hydrogen Bonding in Polymer Systems

聚合物体系中的离子电荷和氢键

• 批准号: 8804702
• 负责人: Marc Donohue
• 金额: $ 4万
• 依托单位: Johns Hopkins University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1988
• 资助国家: 美国
• 起止时间: 1988-02-15 至 1989-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8804702&HistoricalAwards=false
• 关键词: Ionic; Charges; Hydrogen; Bonding; Polymer

The purpose of this work is to present a new model for electrolyte solutions by adding contributions for long-range charge-charge interactions (Henderson, 1983) to Perturbed-Anisotropic-Chain theory (PACT) (Vimalchand, 1985, 1986) which takes short-range molecule- molecule interactions into account. Since dielectric constants used in the primitive model are only for solvation effects caused by charge-molecule interactions near ions, additional terms for the interactions of ions with molecules in the bulk of the solution (i.e. those not solvated) are derived and included in the theory as well. Electrolyte Solutions, especially aqueous electrolyte solutions, are common in the environment, living organisms, and industrial processes. Their thermodynamic properties play an important role in separation, fermentation and purification processes in numerous industries. Therefore, interest in the prediction of thermodynamic properties of electrolyte solutions has grown over the past decade.

这项工作的目的是通过将远程电荷-电荷相互作用（Henderson, 1983）添加到考虑了短程分子-分子相互作用的摄摄-各向异性链理论（PACT） （Vimalchand, 1985, 1986）中，为电解质溶液提出一个新的模型。由于原始模型中使用的介电常数仅用于离子附近电荷-分子相互作用引起的溶剂化效应，因此导出了离子与大部分溶液中分子（即未溶剂化的分子）相互作用的附加项，并将其包含在理论中。电解质溶液，尤其是水溶液，在环境、生物和工业过程中很常见。它们的热力学性质在许多工业的分离、发酵和纯化过程中起着重要作用。因此，在过去的十年中，对电解质溶液热力学性质预测的兴趣越来越大。